phenacyl 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate

Systemtic Name: phenacyl 3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]propanoate Openeye Name: phenacyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate CAS Name: 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]propanoate Traditional Name: 3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]propionic acid phenacyl ester Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCNC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H16N2O5S/c21-15(13-6-2-1-3-7-13)12-25-17(22)10-11-19-18-14-8-4-5-9-16(14)26(23,24)20-18/h1-9H,10-12H2,(H,19,20)